5-[bis(prop-2-enyl)amino]-4-hydroxy-1H-pyrimidin-6-one

C10H13N3O2 — CID 67263076

IUPAC5-[bis(prop-2-enyl)amino]-4-hydroxy-1H-pyrimidin-6-one
SMILESC=CCN(CC=C)c1c(O)nc[nH]c1=O
InChIInChI=1S/C10H13N3O2/c1-3-5-13(6-4-2)8-9(14)11-7-12-10(8)15/h3-4,7H,1-2,5-6H2,(H2,11,12,14,15)
InChIKeyCSCDMEPVLJQWJG-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.65
Rot. Bonds5

About 5-[bis(prop-2-enyl)amino]-4-hydroxy-1H-pyrimidin-6-one

5-[bis(prop-2-enyl)amino]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 67263076) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-[bis(prop-2-enyl)amino]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[bis(prop-2-enyl)amino]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID67263076
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name5-[bis(prop-2-enyl)amino]-4-hydroxy-1H-pyrimidin-6-one
SMILESC=CCN(CC=C)c1c(O)nc[nH]c1=O
InChIInChI=1S/C10H13N3O2/c1-3-5-13(6-4-2)8-9(14)11-7-12-10(8)15/h3-4,7H,1-2,5-6H2,(H2,11,12,14,15)
InChIKeyCSCDMEPVLJQWJG-UHFFFAOYSA-N
XLogP0.65
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[bis(prop-2-enyl)amino]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-[bis(prop-2-enyl)amino]-4-hydroxy-1H-pyrimidin-6-one (CID 67263076) is 5-[bis(prop-2-enyl)amino]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[bis(prop-2-enyl)amino]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-[bis(prop-2-enyl)amino]-4-hydroxy-1H-pyrimidin-6-one is C=CCN(CC=C)c1c(O)nc[nH]c1=O.
What is the InChIKey of 5-[bis(prop-2-enyl)amino]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is CSCDMEPVLJQWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-3-5-13(6-4-2)8-9(14)11-7-12-10(8)15/h3-4,7H,1-2,5-6H2,(H2,11,12,14,15).
What are the key properties of 5-[bis(prop-2-enyl)amino]-4-hydroxy-1H-pyrimidin-6-one?
5-[bis(prop-2-enyl)amino]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 207.23 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(prop-2-enyl)amino]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 67263076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).